(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3R)-1-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3R)-1-[(1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S,2S)-1-[[(1S,2R)-1-[(2-amino-1,1-dimethyl-2-oxo-ethyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-[[(2S,3S)-1-[[(2S,3R)-1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3R)-1-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S,2S)-1-[[(1S,2R)-1-[(2-amino-2-keto-1,1-dimethyl-ethyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-butyric acid Formula: C40H54N8O10 MolecularWeight: 806.90436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(C)(C)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(C)(C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C40H54N8O10/c1-7-21(2)32(37(56)47-33(22(3)49)38(57)48-40(5,6)39(41)58)46-36(55)30(19-31(51)52)45-34(53)28(17-24-13-9-8-10-14-24)44-35(54)29(43-23(4)50)18-25-20-42-27-16-12-11-15-26(25)27/h8-16,20-22,28-30,32-33,42,49H,7,17-19H2,1-6H3,(H2,41,58)(H,43,50)(H,44,54)(H,45,53)(H,46,55)(H,47,56)(H,48,57)(H,51,52)/t21-,22+,28-,29-,30-,32-,33-/m0/s1